| CAS Number | 1889089-88-6 |
| Catalog Number | AG00I2RL(AGN-PC-0WOH2G) |
| Chemical Name | 4-Bromo-6-chloro-1,3-dihydroindol-2-one |
| IUPAC Name | 4-bromo-6-chloro-1,3-dihydroindol-2-one |
| InChI | InChI=1S/C8H5BrClNO/c9-6-1-4(10)2-7-5(6)3-8(12)11-7/h1-2H,3H2,(H,11,12) |
| InChI Key | MXNURYKCRIDPNM-UHFFFAOYSA-N |
| MDL Number | MFCD28397263 |
| Molecular Formula | C8H5BrClNO |
| Molecular Weight | 246.4884 |
| SMILES | BrC1=C2CC(NC2=CC(=C1)Cl)=O |
| Synonyms | 4-Bromo-6-chloroindolin-2-one,
1889089-88-6,
ZINC228984201,
4-BROMO-6-CHLORO-1,3-DIHYDROINDOL-2-ONE,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.488g/mol |
| Monoisotopic Mass | 244.924g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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